Difference between revisions of "CPD-14018"

Latest revision as of 11:15, 18 March 2021

common-name:
- icosapentaenoyl-coa
smiles:
- ccc=ccc=ccc=ccc=ccc=ccccc(=o)sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ1(c(op([o-])(=o)[o-])c(o)c(o1)n3(c2(=c(c(n)=nc=n2)n=c3))))[o-])[o-]
inchi-key:
- jwzlrycddxhxdl-lcmhirpzsa-j
molecular-weight:
- 1047.943

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite TESTOSTERONE ==
+== Metabolite CPD-14018 ==
 * common-name:
-** testosterone
+** icosapentaenoyl-coa
 * smiles:
-** cc34([ch]2([ch]([ch]1(c(c)(c(o)cc1)cc2))ccc3=cc(=o)cc4))
+** ccc=ccc=ccc=ccc=ccc=ccccc(=o)sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ1(c(op([o-])(=o)[o-])c(o)c(o1)n3(c2(=c(c(n)=nc=n2)n=c3))))[o-])[o-]
 * inchi-key:
-** mumggozamzwbjj-dykiifrcsa-n
+** jwzlrycddxhxdl-lcmhirpzsa-j
 * molecular-weight:
-** 288.429
+** 1047.943
 == Reaction(s) known to consume the compound ==
-* [[1.1.1.51-RXN]]
+* [[RXN-13430]]
-* [[RXN66-343]]
+* [[RXN-17688]]
-* [[TESTOSTERONE-17-BETA-DEHYDROGENASE-RXN]]
 == Reaction(s) known to produce the compound ==
-* [[1.1.1.64-RXN]]
+* [[RXN-12978]]
-* [[TESTOSTERONE-17-BETA-DEHYDROGENASE-RXN]]
+* [[RXN-17688]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=testosterone}}
+{{#set: common-name=icosapentaenoyl-coa}}
-{{#set: inchi-key=inchikey=mumggozamzwbjj-dykiifrcsa-n}}
+{{#set: inchi-key=inchikey=jwzlrycddxhxdl-lcmhirpzsa-j}}
-{{#set: molecular-weight=288.429}}
+{{#set: molecular-weight=1047.943}}